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Home > Nitro Compounds > 103582-31-6
103582-31-6 | Propanedioic acid, 2-[(2-nitrophenyl)methylene]-OTHER CA INDEX NAMES:Propanedioic acid, [(2-nitrophenyl)methylene]-
CAS No: 103582-31-6 Catalog No: AG00HA3T MDL No:
Product Description
Catalog Number:
AG00HA3T
Chemical Name:
Propanedioic acid, 2-[(2-nitrophenyl)methylene]-OTHER CA INDEX NAMES:Propanedioic acid, [(2-nitrophenyl)methylene]-
CAS Number:
103582-31-6
IUPAC Name:
2-[(2-nitrophenyl)methylidene]propanedioic acid
InChI:
InChI=1S/C10H7NO6/c12-9(13)7(10(14)15)5-6-3-1-2-4-8(6)11(16)17/h1-5H,(H,12,13)(H,14,15)
InChI Key:
PWOSYAXUKPDKHQ-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Selection, synthesis, and anti-inflammatory evaluation of the arylidene malonate derivatives as TLR4 signaling inhibitors. | Bioorganic & medicinal chemistry 20121015 |
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